-
6
-
-
0021757436
-
-
S.J. Weiner, P.A. Kollman, D.A. Case, U.C. Singh, C. Ghio, G. Alagona, S. Profeta, P.J. Weiner, J. Amer. Chem. Soc. 106 (1984) 765.
-
(1984)
J. Amer. Chem. Soc.
, vol.106
, pp. 765
-
-
Weiner, S.J.1
Kollman, P.A.2
Case, D.A.3
Singh, U.C.4
Ghio, C.5
Alagona, G.6
Profeta, S.7
Weiner, P.J.8
-
7
-
-
84988053694
-
-
S.J. Weiner, P.A. Kollman, D.T. Nguyen, D.A. Case, J. Comput. Chem. 7 (1986) 230.
-
(1986)
J. Comput. Chem.
, vol.7
, pp. 230
-
-
Weiner, S.J.1
Kollman, P.A.2
Nguyen, D.T.3
Case, D.A.4
-
8
-
-
0029011701
-
-
W.D. Cornell, P. Cieplak, C.I. Bayly, I.R. Gould, K.M. Merz Jr, D.M. Ferguson, D.C. Spellmeyer, T. Fox, J.W. Caldwell, P.A. Kollman, J. Amer. Chem. Soc. 117 (1995) 5179.
-
(1995)
J. Amer. Chem. Soc.
, vol.117
, pp. 5179
-
-
Cornell, W.D.1
Cieplak, P.2
Bayly, C.I.3
Gould, I.R.4
Merz K.M., Jr.5
Ferguson, D.M.6
Spellmeyer, D.C.7
Fox, T.8
Caldwell, J.W.9
Kollman, P.A.10
-
9
-
-
84986512474
-
-
B.R. Brooks, R.E. Bruecoleri, B.D. Olafson, D.J. States, S. Swaminathan, M. Karplus, J. Comput. Chem. 4 (1983) 187.
-
(1983)
J. Comput. Chem.
, vol.4
, pp. 187
-
-
Brooks, B.R.1
Bruecoleri, R.E.2
Olafson, B.D.3
States, D.J.4
Swaminathan, S.5
Karplus, M.6
-
14
-
-
0037571112
-
-
and references therein
-
T.A. Halgren, J. Comput. Chem. 17 (1996) 490, 520, 553, 587, 616 and references therein.
-
(1996)
J. Comput. Chem.
, vol.17
, pp. 490
-
-
Halgren, T.A.1
-
17
-
-
0030745939
-
-
M.D. Beachy, D. Chasman, R.B. Murphy, T.A. Halgren, R.A. Friesner, J. Amer. Chem. Soc. 119 (1997) 5908.
-
(1997)
J. Amer. Chem. Soc.
, vol.119
, pp. 5908
-
-
Beachy, M.D.1
Chasman, D.2
Murphy, R.B.3
Halgren, T.A.4
Friesner, R.A.5
-
18
-
-
0000100670
-
-
P.I. Nagy, D.A. Smith, G. Alagona, C. Ghio, J. Phys. Chem. 98 (1994) 486.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 486
-
-
Nagy, P.I.1
Smith, D.A.2
Alagona, G.3
Ghio, C.4
-
27
-
-
0042803655
-
-
C. van Alsenoy, L. Schäffer, K. Siam, J.D. Ewbank, J. Mol. Str. 187 (1989) 271.
-
(1989)
J. Mol. Str.
, vol.187
, pp. 271
-
-
Van Alsenoy, C.1
Schäffer, L.2
Siam, K.3
Ewbank, J.D.4
-
28
-
-
33344459908
-
-
J. Murto, T. Raaska, H. Kunttu, M. Räsänen, J. Mol. Str. 200 (1989) 93.
-
(1989)
J. Mol. Str.
, vol.200
, pp. 93
-
-
Murto, J.1
Raaska, T.2
Kunttu, H.3
Räsänen, M.4
-
31
-
-
0004133516
-
-
Gaussian Inc., Pittsburgh PA
-
M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.C. Johnson, M.A. Robb, et al., GAUSSIAN 94, Revision A, Gaussian Inc., Pittsburgh PA, 1995.
-
(1995)
Gaussian 94, Revision A
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.M.W.4
Johnson, B.C.5
Robb, M.A.6
-
34
-
-
0042803653
-
-
J.O. Williams, C. van Alsenoy, J.N. Scarsdale, L. Schäffer, J. Mol. Str. 86 (1981) 103.
-
(1981)
J. Mol. Str.
, vol.86
, pp. 103
-
-
Williams, J.O.1
Van Alsenoy, C.2
Scarsdale, J.N.3
Schäffer, L.4
-
35
-
-
0041300909
-
-
MOLDEN, QCPE 619, Department of Chemistry, Indiana University, Bloomington, USA
-
MOLDEN, QCPE 619, Department of Chemistry, Indiana University, Bloomington, USA.
-
-
-
|